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2,2-Dimethylbutyric acid
SpectraBase Compound ID 456bRQgClP
InChI InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey VUAXHMVRKOTJKP-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LigeCvyWcez
Name Butanoic acid, 2,2-dimethyl-
Alternate Name(s) .alpha.,.alpha.-Dimethylbutanoic acid .alpha.,.alpha.-Dimethylbutyric acid Butyric acid, 2,2-dimethyl- 2,2-Dimethylbutanoic acid 2,2-Dimethylbutyric acid Neohexanoic acid EINECS 209-865-0
CAS Registry Number 595-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey VUAXHMVRKOTJKP-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OC(C(C)(CC)C)=O
SPLASH splash10-006x-9000000000-2fd585b555014e9725b6
Source of Spectrum PR-1421-0-0
Wiley ID 1125458